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Chemical ID: 5788653
Chemical ID:
5788653
Name [?]:
benzyl (1-formyl-2,3,4,5-tetrahydroxy-pentyl)aminoformate
SMILES [?]:
c1ccc(cc1)COC(=O)NC(C=O)C(C(C(CO)O)O)O
InChi [?]:
InChI=1/C14H19NO7/c16-6-10(12(19)13(20)11(18)7-17)15-14(21)22-8-9-4-2-1-3-5-9/h1-6,10-13,17-20H,7-8H2,(H,15,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,18,7,4,12,17,15,16,9,11,14,19,20,22,21,10,8/E:(2,3)(4,5)/rA:22cCCCCCCCOCONCCOCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s12;s15;s16;s17;s18;s17;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO7 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 4.35869 |
Area: | 530.348 |
Solvation: | -8.90002 |
Coulombic: | -105.709 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 313.303 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 8 |
XLogP: | -1.23 |
LogP (Chemaxon): | -0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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